N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine

C10H26N2O2Si — CID 173372192

IUPACN'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine
SMILESCCC(C[SiH](OC)OC)NCCCCN
InChIInChI=1S/C10H26N2O2Si/c1-4-10(9-15(13-2)14-3)12-8-6-5-7-11/h10,12,15H,4-9,11H2,1-3H3
InChIKeyWPBMMZFQWRGHKD-UHFFFAOYSA-N
MW234.42 g/mol
LogP0.61
Rot. Bonds10

About N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine

N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine (PubChem CID 173372192) has the molecular formula C10H26N2O2Si and a molecular weight of 234.42 g/mol. Its IUPAC name is N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine
PubChem CID173372192
Molecular FormulaC10H26N2O2Si
Molecular Weight234.42 g/mol
Exact Mass234.18
IUPAC NameN'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine
SMILESCCC(C[SiH](OC)OC)NCCCCN
InChIInChI=1S/C10H26N2O2Si/c1-4-10(9-15(13-2)14-3)12-8-6-5-7-11/h10,12,15H,4-9,11H2,1-3H3
InChIKeyWPBMMZFQWRGHKD-UHFFFAOYSA-N
XLogP0.61
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N'-(1-diethoxysilylbutan-2-yl)ethane-1,2-diamine
CID 173106789
N'-(1-dimethoxysilylbutyl)butane-1,4-diamine
CID 173372191
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
N'-propan-2-yloctane-1,8-diamine
CID 138605826
N'-(2-dimethoxysilylethyl)propane-1,3-diamine
CID 161288422
N-[4-(2-methoxyethoxy)butyl]pentan-3-amine
CID 115715449
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
1-dimethoxysilylbutan-2-amine;N'-(3-triethoxysilylpropyl)ethane-1,2-diamine
CID 173380907
1-(3-aminopropylamino)ethanesulfonic acid
CID 87212350
1-N,1-N'-bis(2-aminoethyl)-3-dimethoxysilylpropane-1,1-diamine
CID 173120375
N-pentylheptan-3-amine
CID 63944300
3-N-octadec-9-enylpentane-1,3-diamine
CID 154328629

Frequently Asked Questions

What is the IUPAC name of N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine?
The IUPAC name of N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine (CID 173372192) is N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine?
The canonical SMILES for N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine is CCC(C[SiH](OC)OC)NCCCCN.
What is the InChIKey of N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine?
The InChIKey is WPBMMZFQWRGHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O2Si/c1-4-10(9-15(13-2)14-3)12-8-6-5-7-11/h10,12,15H,4-9,11H2,1-3H3.
What are the key properties of N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine?
N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine has a molecular weight of 234.42 g/mol, XLogP of 0.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-dimethoxysilylbutan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 173372192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).